{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9029213 0.8406845 -1.4101316 ] [ -0.2097084 -0.2099293 2.1378694 ] [ -1.8071982 -3.9670977 -5.168997 ] [ 1.9034481 -1.2245392 4.437726 ] [ 1.0163798 4.5608817 0.0035332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.446639397282343e-09 1.346925051368938e-09 -2.259279881771297e-09 ] [ -3.359898956653747e-10 -3.363438164809095e-10 3.425244371003724e-09 ] [ -2.895450705191842e-09 -6.355991187369453e-09 -8.281646146385338e-09 ] [ 3.049660044726181e-09 -1.961928077493135e-09 7.110020846716301e-09 ] [ 1.62841995341338e-09 7.30733802997456e-09 5.66081043661056e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6647953992349507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.871649508669641e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3313545 2.1637118 0.3556172 ] [ 0.7754856 2.1771995 2.6674027 ] [ 2.2502595 0.8486907 -0.0053658 ] [ 2.6943924 0.8621794 2.3064203 ] [ 2.4336282 2.9073222 1.1459904 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.313545e-11 2.1637118e-10 3.556172e-11 ] [ 7.754856e-11 2.1771995e-10 2.6674027e-10 ] [ 2.2502595e-10 8.486907e-11 -5.3658e-13 ] [ 2.6943924e-10 8.621794000000001e-11 2.3064203e-10 ] [ 2.4336282e-10 2.9073222e-10 1.1459904e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 2.8e-06 -8.9e-06 ] [ 1.09e-05 1.4e-06 -4.5e-06 ] [ 5e-06 4.8e-06 9.1e-06 ] [ 1.4e-06 -2.3e-06 -3e-07 ] [ -2e-06 -6.7e-06 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 4.48609453824e-15 -1.425937192512e-14 ] [ 1.746372516672e-14 2.24304726912e-15 -7.2097947936e-15 ] [ 8.010883104e-15 7.69044777984e-15 1.457980724928e-14 ] [ 2.24304726912e-15 -3.68500622784e-15 -4.8065298624e-16 ] [ -3.2043532416e-15 -1.073458335936e-14 7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }